[(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]azanium Openeye Name: [(1S)-1-(4-isopropoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]azanium Traditional Name: [(1S)-1-(4-isopropoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CN2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@@H](CN2CCC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C17H29N3O/c1-14(2)21-16-7-5-15(6-8-16)17(18)13-20-10-4-9-19(3)11-12-20/h5-8,14,17H,4,9-13,18H2,1-3H3/p+2/t17-/m1/s1